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CHEBI:202927 - Graphiumin G

ChEBI IDCHEBI:202927
ChEBI NameGraphiumin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36N2O7S2
Net Charge0
Average Mass576.737
Monoisotopic Mass576.19639
SMILESCCCCC[C@H](O)CC(=O)O[C@H]1C=CC=C2C[C@@]3(SC)C(=O)N4[C@H]5C(=COC=C[C@@H]5O)C[C@@]4(SC)C(=O)N3[C@@H]21
InChIInChI=1S/C28H36N2O7S2/c1-4-5-6-9-19(31)13-22(33)37-21-10-7-8-17-14-27(38-2)25(34)29-23-18(16-36-12-11-20(23)32)15-28(29,39-3)26(35)30(27)24(17)21/h7-8,10-12,16,19-21,23-24,31-32H,4-6,9,13-15H2,1-3H3/t19-,20-,21-,23-,24-,27+,28+/m0/s1
InChIKeyTYHCHYOMCFNGNC-WJMDBDSNSA-N
Species of MetaboliteComponentSourceComments
Graphium (ncbitaxon:76204) - PubMed (25899125)
ChEBI Ontology
Outgoing Relation(s)
Graphiumin G (CHEBI:202927) has functional parent α-amino acid (CHEBI:33704)
Graphiumin G (CHEBI:202927) is a organonitrogen compound (CHEBI:35352)
Graphiumin G (CHEBI:202927) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4S,5S,11R,14S,15S)-15-hydroxy-1,11-bis(methylsulanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-6,8,16,19-tetraen-5-yl] (3S)-3-hydroxyoctanoate
Manual XrefsDatabases
78436934ChemSpider